5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C10H9ClF3NS — CID 106784246

IUPAC5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CCC2)s1
InChIInChI=1S/C10H9ClF3NS/c11-7-3-1-2-6(4-7)8-5-15-9(16-8)10(12,13)14/h4-5,7H,1-3H2
InChIKeyPPTCYMFDWCFYCN-UHFFFAOYSA-N
MW267.70 g/mol
LogP4.34
Rot. Bonds1

About 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784246) has the molecular formula C10H9ClF3NS and a molecular weight of 267.70 g/mol. Its IUPAC name is 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784246
Molecular FormulaC10H9ClF3NS
Molecular Weight267.70 g/mol
Exact Mass267.01
IUPAC Name5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CC(Cl)CCC2)s1
InChIInChI=1S/C10H9ClF3NS/c11-7-3-1-2-6(4-7)8-5-15-9(16-8)10(12,13)14/h4-5,7H,1-3H2
InChIKeyPPTCYMFDWCFYCN-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
5-(2-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784059
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
CID 106784192
5-(3-Chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
5-(3-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784219
5-(3-Chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784220
5-(3-Chloropentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784222
5-(3-Chloro-5,5-dimethylcyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784247
5-(3-Chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784248
5-(5-Chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784468
5-(3-Chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 107383872

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784246) is 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2=CC(Cl)CCC2)s1.
What is the InChIKey of 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PPTCYMFDWCFYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NS/c11-7-3-1-2-6(4-7)8-5-15-9(16-8)10(12,13)14/h4-5,7H,1-3H2.
What are the key properties of 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 267.70 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).